Power Management Optimization Platform for High Performance Computing and Data Centers
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32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
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Acoustic Data Analytics For Predictive Technologies
The software utilizes frequency, amplitude, and phase features from sensor signals (either raw or processed) that are extracted using recursive frequency analysis, enabling (1) understanding of reactor operations under different operating conditions, (2) identifying of quiescent frequency ranges for sensor development, (3) system controls (4) predictive analytics, (5) structural health monitoring, and (6) loose part monitoring.
Smith, JamesA.↗
Shuttle payload bay dynamic environments: Summary and conclusion report for STS flights 1-5 and 9
The vibration, acoustic and low frequency loads data from the first 5 shuttle flights are presented. The engineering analysis of that data is also presented. Vibroacoustic data from STS-9 are also presented because they represent the only data taken on a large payload. Payload dynamic environment predictions developed by the participation of various NASA and industrial centers are presented along with a comparison of analytical loads methodology predictions with flight data, including a brief description of the methodologies employed in developing those predictions for payloads. The review of prediction methodologies illustrates how different centers have approached the problems of developing shuttle dynamic environmental predictions and criteria. Ongoing research activities related to the shuttle dynamic environments are also described. Analytical software recently developed for the prediction of payload acoustic and vibration environments are also described.
Oconnell, M.↗
Software Released by LEWICE 2.0 Ice Accretion Software Development Project
Computational icing simulation methods are making the transition from the realm of research to commonplace use in design and certification. As such, standards of software management, design, validation, and documentation must be adjusted to accommodate the increased expectations of the user community with respect to accuracy, reliability, capability, and usability. With this in mind, in collaboration with Glenn's Engineering Design and Analysis Division, the Icing Branch of the NASA Glenn Research Center at Lewis Field began a software improvement project focused on the two-dimensional ice accretion simulation tool LEWICE. This project is serving as an introduction to the concepts of software management and is intended to serve as a pilot project for future icing simulation code development. The LEWICE 2.0 Software Development Project consisted of two major elements: software management and software validation. The software management element consisted of identifying features of well-designed and well-managed software that are appropriate for an analytical prediction tool such as LEWICE and applying them to a revised version of the code. This element included tasks such as identification of software requirements, development and implementation of coding standards, and implementation of software revision control practices. With the application of these techniques, the LEWICE ice accretion code became a more stable and reliable software product. In addition, the lessons learned about software development and maintenance can be factored into future software projects at the outset. The software validation activity was an integral part of our effort to make LEWICE a more accurate and reliable analysis tool. Because of the efforts taken to extensively validate this software, LEWICE 2.0 is more robust than previous releases and can reproduce results accurately across several computing platforms. It also differs from previous versions in the extensive quantitative comparisons of its results with a data base of ice shapes that were generated in Glenn's Icing Research Tunnel. The results of the shape comparisons were analyzed to determine the range of meteorological conditions under which LEWICE 2.0 is within the repeatability found for ice shapes obtained from experiments. These comparisons show that the average variation of LEWICE 2.0 from experimental data is 7.2 percent, whereas the overall variability of the experimental data is 2.5 percent. The LEWICE 2.0 Software Development Project resulted in the release, at the recent Icing Branch LEWICE Workshop, of a more useful and robust analysis tool than was previously available to the icing community. The lessons learned from this project will be applied to the Icing Branch s future software development efforts.
Potapczuk, Mark G.↗
Agilent AgileBioFoundry CRADA (Final Report)
The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOF-MS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Therefore, our accomplishment in this CRADA improved the efficiency and accuracy of strain testing by developing and implementing fast analytical methods, robust processing tools, and software for predicting the best methods for UHPLC analysis.
97 MATHEMATICS AND COMPUTING↗
Updated Fatigue-Crack-Growth And Fracture-Mechanics Software
NASA/FLAGRO 2.0 developed as analytical aid in predicting growth and stability of preexisting flaws and cracks in structural components of aerospace systems. Used for fracture-control analysis of space hardware. Organized into three modules to maximize efficiency in operation. Useful in: (1) crack-instability/crack-growth analysis, (2) processing raw crack-growth data from laboratory tests, and (3) boundary-element analysis to determine stresses and stress-intensity factors. Written in FORTRAN 77 and ANSI C.
Forman, Royce G.↗
Design and Test Plans for a Non-Nuclear Fission Power System Technology Demonstration Unit
A joint National Aeronautics and Space Administration (NASA) and Department of Energy (DOE) team is developing concepts and technologies for affordable nuclear Fission Power Systems (FPSs) to support future exploration missions. A key deliverable is the Technology Demonstration Unit (TDU). The TDU will assemble the major elements of a notional FPS with a non-nuclear reactor simulator (Rx Sim) and demonstrate system-level performance in thermal vacuum. The Rx Sim includes an electrical resistance heat source and a liquid metal heat transport loop that simulates the reactor thermal interface and expected dynamic response. A power conversion unit (PCU) generates electric power utilizing the liquid metal heat source and rejects waste heat to a heat rejection system (HRS). The HRS includes a pumped water heat removal loop coupled to radiator panels suspended in the thermal-vacuum facility. The basic test plan is to subject the system to realistic operating conditions and gather data to evaluate performance sensitivity, control stability, and response characteristics. Upon completion of the testing, the technology is expected to satisfy the requirements for Technology Readiness Level 6 (System Demonstration in an Operational and Relevant Environment) based on the use of high-fidelity hardware and prototypic software tested under realistic conditions and correlated with analytical predictions.
Mason, Lee↗
Towards an Airframe Noise Prediction Methodology: Survey of Current Approaches
In this paper, we present a critical survey of the current airframe noise (AFN) prediction methodologies. Four methodologies are recognized. These are the fully analytic method, CFD combined with the acoustic analogy, the semi-empirical method and fully numerical method. It is argued that for the immediate need of the aircraft industry, the semi-empirical method based on recent high quality acoustic database is the best available method. The method based on CFD and the Ffowcs William- Hawkings (FW-H) equation with penetrable data surface (FW-Hpds ) has advanced considerably and much experience has been gained in its use. However, more research is needed in the near future particularly in the area of turbulence simulation. The fully numerical method will take longer to reach maturity. Based on the current trends, it is predicted that this method will eventually develop into the method of choice. Both the turbulence simulation and propagation methods need to develop more for this method to become useful. Nonetheless, the authors propose that the method based on a combination of numerical and analytical techniques, e.g., CFD combined with FW-H equation, should also be worked on. In this effort, the current symbolic algebra software will allow more analytical approaches to be incorporated into AFN prediction methods.
Farassat, Fereidoun↗
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
Accurately modeling photochemical reactions is difficult due to the presence of conical intersections and locally avoided crossings, as well as the inherently multiconfigurational character of excited states. As such, one needs a multistate method that incorporates state interaction in order to accurately model the potential energy surface at all nuclear coordinates. The recently developed linearized pair-density functional theory (L-PDFT) is a multistate extension of multiconfiguration PDFT, and it has been shown to be a cost-effective post-MCSCF method (as compared to more traditional and expensive multireference many-body perturbation methods or multireference configuration interaction methods) that can accurately model potential energy surfaces in regions of strong nuclear–electronic coupling in addition to accurately predicting Franck–Condon vertical excitations. Here, in this paper, we report the derivation of analytic gradients for L-PDFT and their implementation in the PySCF-forge software, and we illustrate the utility of these gradients for predicting ground- and excited-state equilibrium geometries and adiabatic excitation energies for formaldehyde, s-trans-butadiene, phenol, and cytosine.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
nrelWattileExt (SkySpark Wattile Extension) [SWR-24-73]
The NREL Wattile extension, nrelWattileExt, provides an interface between SkySpark, an energy management and analytics software, and Wattile, an NREL-developed Python package for probabilistic prediction of building energy consumption. Wattile models predict discrete quantiles of the probability distribution of a target quantity (typically energy consumption) using the historical time series data from one or more predictors (typically weather data). Within SkySpark, predictions from Wattile models can be used for measurement & verification of building performance, detection of energy anomalies, and fault detection. Related to: https://github.com/NREL/Wattile
Frank, Stephen↗
CRADA Final Report: Weld Predictor App
Welding is an important manufacturing process used in a broad range of industries and market sectors, including automotive, aerospace, heavy manufacturing, medical, and defense. During welded fabrication, high localized heat input and subsequent rapid cooling result in the creation of residual stresses and distortion. These residual stresses can significantly affect the fatigue resistance, cracking behavior, and load-carrying capacity of welded structures during service. Further, additional fitting and tacking time is often required to fit distorted subassemblies together, resulting in non-value added cost. Using trial-and-error methods to determine which welding parameters, welding sequences, and fixture designs will most effectively reduce distortion is a time-consuming and expensive process. For complex structures with many welds, this approach can take several months. For this reason, efficient and accurate methods of mitigating distortion are in-demand across all industries where welding is used. Analytical and computational methods and commercial software tools have been developed to predict welding-induced residual stresses and distortion. Welding process parameters, fixtures, and tooling can be optimized to reduce the HAZ softening and minimize weld residual stress and distortion, improving performance and reducing design, fabrication and testing costs. However, weld modeling technology tools are currently accessible only to engineers and designers with a background in finite element analysis (FEA) who work with large manufacturers, research institutes, and universities with access to high-performance computing (HPC) resources. Small and medium enterprises (SMEs) in the US do not typically have the human and computational resources needed to adopt and utilize weld modeling technology. To allow an engineer with no background in FEA and SMEs to gain access to this important design tool, EWI and the Ohio Supercomputer Center (OSC) developed the online weld application software tool “WeldPredictor” ( https://eweldpredictor.ewi.org ). About 1400 users have tested this application. This project marked the beginning of development on the next version of WeldPredictor that addresses many outstanding features of the original, including 3D models, allow more material hardening laws, model material phase transformation, and uses open source finite element solvers to quickly solve problems (as opposed to expensive commercial tools).
42 ENGINEERING↗
The Next Generation X-Ray Galaxy Survey with eROSITA
eROSITA, launched on 13 July 2019, will be completing the first all-sky survey in the soft and medium X-ray band in nearly three decades. This 4-year survey, finishing in late 2023, will present a rich legacy for the entire astrophysics community and complement upcoming multi-wavelength surveys (with, e.g. the Large Synoptic Survey Telescope and the Dark Energy Survey). Besides the major scientific aim to study active galactic nuclei (AGN) and galaxy clusters, eROSITA will contribute significantly to X-ray studies of normal (i.e. not AGN) galaxies. Starting from multi-wavelength catalogues, we measure star formation rates and stellar masses for 60 212 galaxies constrained to distances of 50–200 Mpc. We chose this distance range to focus on the relatively unexplored volume outside the local Universe, where galaxies will be largely spatially unresolved and probe a range of X-ray luminosities that overlap with the low luminosity and/or highly obscured AGN population. We use the most recent X-ray scaling relations as well as the on-orbit eROSITA instrument performance to predict the X-ray emission from XRBs and diffuse hot gas and to perform both an analytic prediction and an end-to-end simulation using the mission simulation software, SIXTE. We consider potential contributions from hidden AGN and comment on the impact of normal galaxies on the measurement of the faint end of the AGN luminosity function. We predict that the eROSITA 4-year survey, will detect ≳15 000 galaxies (3σ significance) at 50–200 Mpc, which is ~ 100× more normal galaxies than detected in any X-ray survey to date.
Surveys↗
FIER: Software for analytical modeling of delayed gamma-ray spectra
We report a new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed γ-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman equations to calculate the time-dependent populations of fission products and their decay daughters resulting from irradiation of a fissionable isotope. These populations are then used in the calculation of γ-ray emission rates to obtain the corresponding delayed γ-ray spectra. FIER output was compared to experimental data obtained by irradiation of a 235 U sample in the Godiva critical assembly. This investigation illuminated discrepancies in the input nuclear data libraries, showcasing the usefulness of FIER as a tool to address nuclear data deficiencies through comparison with experimental data. Finally, FIER provides traceability between γ-ray emissions and their contributing nuclear species, decay chains, and parent fission fragments, yielding a new capability for the nuclear science community.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Attack Surface Analysis of the Digital Twins interface with Advanced Sensor and Instrumentation Interfaces: Cyber Threat Assessment and Attack Demonstration for Digital Twins in Advanced Reactor Architectures
A digital twin is a virtual representation of a physical system or object using real-time data that can predict and analyze how the system or object performs. This relatively new technology can be applied to the field of nuclear power generation, to aid in the design and development of new nuclear power plants and reduce operation costs using predictive maintenance and other data analytical methods. While there are already companies utilizing simulation software to train operators and technicians in the nuclear industry, some are now transitioning to utilizing their existing technology, software, and methods to develop digital twin solutions for the next generation of nuclear power plants, offering their services to utilities and government organizations around the world.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
SAS4A/SASSYS-1 Lead Verification Test Suite
SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. Although SAS4A/SASSYS-1 was developed to support the analysis of any liquid-metal-cooled nuclear reactor, it has primarily been utilized to design and analyze Sodium Fast Reactors (SFRs). As a result, most of the verification basis for SAS4A/SASSYS-1 utilizes sodium as a coolant and geometry descriptions that are typical of a SFR facility. In this work, new verification problems are defined to extend the applicability of the SAS4A/SASSYS-1 verification basis into Lead Fast Reactor (LFR) design space. A review of the existing SAS4A/SASSYS-1 SFR verification test suite is performed to determine the number of test cases that are SFR specific. SFR specific test cases are replicated using lead as a coolant and system layouts that are representative of LFRs. This report provides definitions and reference solutions for seven new test cases that scope lead-specific features and capabilities of the software. For a verification test to be considered acceptable, comparisons of analytical solutions to SAS4A/SASSYS-1 predictions must produce negligible or justifiable errors. All LFR specific test cases are found to be acceptable.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
In flight ground control of high drag satellites utilizing on-board accelerometer data and rapid orbit prediction techniques
High drag satellites frequently require precise verification of orbital maneuvers and the accurate prediction of perigee height. An in-flight ground support system designed to monitor and compute orbital state and maneuvers is described. The use of on-board three-axis accelerometer data in a flight support software system to perform on-line maneuver analysis and atmospheric model updating is discussed. In addition, automated analytic techniques to rapidly and accurately predict perigee height following a maneuver are described, as well as semianalytic averaging techniques designed to predict a decaying orbital state for mission control.
Fuchs, A. J.↗
Reliability analysis based on operational success criteria
Failure Modes, Effects, and Criticality Analysis Model disregards failures of insignificant components. Assumptions used to establish baselines for reliability prediction and analytical method are listed. Techniques are applicable to any commercial design and can be extended into software or management systems.
Esmond, F. G.↗
Modeling and simulation of mobile satellite propagation
Mobile satellite systems are subject to severe fading due to blockage of the line-of-sight (LOS) path by roadside vegetation. A thorough understanding of the fading effects is necessary for the design of a reliable land mobile satellite system (LMSS). Analytical and empirical models are presented for predicting fade statistics for vegetative shadowing of mobile satellite terminals. A software simulator for generating simulated fade data is also presented. A physical model relating physical path parameters to propagation model parameters is presented, and results using the model are shown.
Barts, R. M.↗